tert-butyl N-(4-oxocyclohexyl)carbamate
TL;DR: tert-butyl N-(4-oxocyclohexyl)carbamate (CAS 947249-08-3) is a chemical compound with molecular formula C11H19NO3 and molecular weight 213.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(4-oxocyclohexyl)carbamate
Also Known As: N-4-Boc-aminocyclohexanone, 4-N-Boc-Aminocyclohexanone, tert-Butyl (4-oxocyclohexyl)carbamate, tert-butyl N-(4-oxocyclohexyl)carbamate, null
| Molecular Formula | C11H19NO3 |
|---|---|
| Molecular Weight | 213.14 g/mol |
| LogP | 2.0228 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.13649 |
| Heavy Atoms | 15 |
| Complexity | 245.04887 |
Chemical Identifiers
| CAS Number | 947249-08-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1CCC(=O)CC1 |
Product Overview
tert-butyl N-(4-oxocyclohexyl)carbamate (CAS 947249-08-3), with molecular formula C11H19NO3 and molecular weight 213.14 g/mol. IUPAC: tert-butyl N-(4-oxocyclohexyl)carbamate.
Chemical Property Profile of tert-butyl N-(4-oxocyclohexyl)carbamate
Property Insights of tert-butyl N-(4-oxocyclohexyl)carbamate
The XLogP value of 2.0228 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(4-oxocyclohexyl)carbamate. With a topological polar surface area (TPSA) of 55.4 Ų, tert-butyl N-(4-oxocyclohexyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(4-oxocyclohexyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl N-(4-oxocyclohexyl)carbamate?
The CAS number of tert-butyl N-(4-oxocyclohexyl)carbamate is 947249-08-3.
What is the molecular formula of tert-butyl N-(4-oxocyclohexyl)carbamate?
The molecular formula of tert-butyl N-(4-oxocyclohexyl)carbamate is C11H19NO3.
What is the molecular weight of tert-butyl N-(4-oxocyclohexyl)carbamate?
The molecular weight of tert-butyl N-(4-oxocyclohexyl)carbamate is 213.14 g/mol.
Where can I buy tert-butyl N-(4-oxocyclohexyl)carbamate?
You can request a quote for tert-butyl N-(4-oxocyclohexyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(4-oxocyclohexyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(4-oxocyclohexyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.